Exploring the Fragmentation of Sodiated Species Involving Covalent‐Bond Cleavages for Metabolite Characterization

Overall, we show, using representative examples of biologically relevant metabolites, the benefits of considering MS/MS data generated from sodiated entities, in addition to [M + H]<sup>+</sup> and [M - H]<sup>-</sup> collisional data, to improve metabolite identification. The differentiation of four positional isomers is a striking illustration of the power of fragmentation information obtained with species of the [M - 2H + Na]<sup>-</sup> form. Considering the number of metabolites featuring chemical groups capable of interacting with Na<sup>+</sup>, systematic integration of these data into annotation workflows should be considered.

Authors

Institutions

Publication Details

Journal
Rapid Communications in Mass Spectrometry
Published
2025-09-08
DOI
https://doi.org/10.1002/rcm.10133
Primary Topic
Metabolomics and Mass Spectrometry Studies
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Exploring the Fragmentation of Sodiated Species Involving Covalent‐Bond Cleavages for Metabolite Characterization

Chenqin Cao, Alain Perret, Sylvain Déchaumet, Ekaterina Darii et al.
Rapid Communications in Mass Spectrometry
Metabolomics and Mass Spectrometry Studies
article

Exploring the Fragmentation of Sodiated Species Involving Covalent‐Bond Cleavages for Metabolite Characterization

Chenqin Cao, Alain Perret, Sylvain Déchaumet, Ekaterina Darii, Anaïs Legrand, Amina S. Woods, Annelaure Damont, Christophe Junot, François Fenaille, Jean‐Claude Tabet
article en

Abstract

Overall, we show, using representative examples of biologically relevant metabolites, the benefits of considering MS/MS data generated from sodiated entities, in addition to [M + H]<sup>+</sup> and [M - H]<sup>-</sup> collisional data, to improve metabolite identification. The differentiation of four positional isomers is a striking illustration of the power of fragmentation information obtained with species of the [M - 2H + Na]<sup>-</sup> form. Considering the number of metabolites featuring chemical groups capable of interacting with Na<sup>+</sup>, systematic integration of these data into annotation workflows should be considered.

Rapid Communications in Mass Spectrometry
Centre National de la Recherche Scientifique (FR), Johns Hopkins University (US), Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR), Université Paris-Saclay (FR), Johns Hopkins Medicine (US), Maryland University of Integrative Health (US), Sorbonne Université (FR), Institut National de Recherche pour l'Agriculture, l'Alimentation et l'Environnement (FR), Genoscope (FR), CEA Paris-Saclay (FR), Institut Parisien de Chimie Moléculaire (FR)
Agence Nationale de la Recherche
Openalex Percentile: Top 79%
Metabolomics and Mass Spectrometry Studies
DOIOpen Access PDFOpenAlex
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

Exploring the Fragmentation of Sodiated Species Involving Covalent‐Bond Cleavages for Metabolite Characterization — Chenqin Cao, Alain Perret, et al. · Rapid Communications in Mass Spectrometry (2025) | TGRS Research Map | TGRS